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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:11 UTC
Update Date2025-03-21 18:04:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048574
Frequency68.2
Structure
Chemical FormulaC15H12O7S
Molecular Mass336.0304
SMILESO=C1c2ccc(OS(=O)(=O)O)cc2OCC1c1ccc(O)cc1
InChI KeyDMVBWYFFXXDWGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • aryl alkyl ketones
  • arylsulfates
  • benzene and substituted derivatives
  • chromones
  • hydrocarbon derivatives
  • isoflavanones
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • isoflavanone
  • ketone
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone